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Books > Science & Mathematics > Physics > Applied physics & special topics > Biophysics
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Molecular Orbital Calculations for Amino Acids and Peptides (Paperback, Softcover reprint of the original 1st ed. 2000)
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Molecular Orbital Calculations for Amino Acids and Peptides (Paperback, Softcover reprint of the original 1st ed. 2000)
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This book is intended mainly for biochemists who would like to
augment experimentalresearch in thedomainofaminoacids
andsmallpeptideswith theoretical calculations at the ab initio
level. The book does not require a profound knowledge of
mathematics and quantum chemistry. It teaches one rather how to use
computer software such as the Gaussian programs and gives examples
of problems treated in this manner. Chapter 1 describes the
calculations and one of the programs used for ab initio work.
Chapter 2 describes calculations on small amino acids, such as
glycine and alanine. Chapter3discusses the biochemical
propertiesofGABA (gamma amino butyricacid), which isoneofthe most
important amino acids ofthe nervous system.Ab initio calculations
performed in order to study the structure of GABA are presented.
Chapter 4 discusses an amino acid related to GABA, namely DABA
(diaminobutyricacid), presentinginformation about itsstructureand
trans port properties. A number of amino acids, essentials in the
biochemistry of organisms, are discussed in Chapter 5. These acids
have been subjected to ab initio investigation. Proline, a special
amino acid as far as structure is concerned, is discussed in
Chapter 6. Chapter7discusses two sulfur-containingamino acids,
taurine and hypo taurine, presenting some experimental studies on
their mode of action and an ab initio study of their structure.
Startingwith Chapter8, small peptidesofgreat
importancearediscussed. Glucagon, a small peptide that plays a role
in diabetes, is the subject of Chapter 8. Chapter 9 discusses the
pheromone alpha factor, from an experimental and theoretical point
of view. Chapter 10 presents calculations on tight turns in
proteins."
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